| CAS Number | 2089257-22-5 |
| Catalog Number | AG00J26P(AGN-PC-0WRANI) |
| Chemical Name | 2-amino-4-methyl-1H-imidazole-5-carboxylic acid hydrate |
| IUPAC Name | 2-amino-5-methyl-1H-imidazole-4-carboxylic acid;hydrate |
| InChI | InChI=1S/C5H7N3O2.H2O/c1-2-3(4(9)10)8-5(6)7-2;/h1H3,(H,9,10)(H3,6,7,8);1H2 |
| InChI Key | MLRBCLCABWQWLZ-UHFFFAOYSA-N |
| MDL Number | MFCD30718767 |
| Molecular Formula | C5H9N3O3 |
| Molecular Weight | 159.1433 |
| SMILES | C1(C(O)=O)NC(=NC=1C)N.O |
| Synonyms | 2-Amino-4-methyl-1H-imidazole-5-carboxylic acid hydrate,
2089257-22-5,
MFCD30718767,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.145g/mol |
| Monoisotopic Mass | 159.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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